4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

C13H16N2 — CID 58931552

IUPAC4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESCc1cc2c(n1C)Cc1c-2cc(C)n1C
InChIInChI=1S/C13H16N2/c1-8-5-10-11-6-9(2)15(4)13(11)7-12(10)14(8)3/h5-6H,7H2,1-4H3
InChIKeySHPVHZQWXHWVJT-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.55
Rot. Bonds

About 4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (PubChem CID 58931552) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.

Molecular Properties

Compound Name4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
PubChem CID58931552
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESCc1cc2c(n1C)Cc1c-2cc(C)n1C
InChIInChI=1S/C13H16N2/c1-8-5-10-11-6-9(2)15(4)13(11)7-12(10)14(8)3/h5-6H,7H2,1-4H3
InChIKeySHPVHZQWXHWVJT-UHFFFAOYSA-N
XLogP2.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The IUPAC name of 4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (CID 58931552) is 4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.
What is the SMILES notation for 4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The canonical SMILES for 4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is Cc1cc2c(n1C)Cc1c-2cc(C)n1C.
What is the InChIKey of 4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The InChIKey is SHPVHZQWXHWVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-8-5-10-11-6-9(2)15(4)13(11)7-12(10)14(8)3/h5-6H,7H2,1-4H3.
What are the key properties of 4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene has a molecular weight of 200.28 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,9,10-tetramethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is sourced from PubChem (CID 58931552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).